5-nitro-6-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropyl-pyrimidine-2,4-dione

Systemtic Name: 5-nitro-6-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropyl-pyrimidine-2,4-dione Openeye Name: 5-nitro-6-[(E)-2-(4-propoxyphenyl)vinyl]-1,3-dipropyl-pyrimidine-2,4-dione CAS Name: 5-nitro-6-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpyrimidine-2,4-dione IUPAC Name: 5-nitro-6-[(E)-2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpyrimidine-2,4-dione Traditional Name: 5-nitro-6-[(E)-2-(4-propoxyphenyl)vinyl]-1,3-dipropyl-pyrimidine-2,4-quinone Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)CCC)[N+](=O)[O-])C=CC2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)CCC)[N+](=O)[O-])/C=C/C2=CC=C(C=C2)OCCC

InChI

InChI=1S/C21H27N3O5/c1-4-13-22-18(12-9-16-7-10-17(11-8-16)29-15-6-3)19(24(27)28)20(25)23(14-5-2)21(22)26/h7-12H,4-6,13-15H2,1-3H3/b12-9+